N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

C26H20N2O2 — CID 127029526

IUPACN-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)ccn1
InChIInChI=1S/C26H20N2O2/c1-17-14-20(12-13-27-17)19-8-6-18(7-9-19)15-26(29)28-21-10-11-23-22-4-2-3-5-24(22)30-25(23)16-21/h2-14,16H,15H2,1H3,(H,28,29)
InChIKeyIHEKYJAAGHIBNE-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.14
Rot. Bonds4

About N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 127029526) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID127029526
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC NameN-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)ccn1
InChIInChI=1S/C26H20N2O2/c1-17-14-20(12-13-27-17)19-8-6-18(7-9-19)15-26(29)28-21-10-11-23-22-4-2-3-5-24(22)30-25(23)16-21/h2-14,16H,15H2,1H3,(H,28,29)
InChIKeyIHEKYJAAGHIBNE-UHFFFAOYSA-N
XLogP6.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 127029526) is N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)ccn1.
What is the InChIKey of N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is IHEKYJAAGHIBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-17-14-20(12-13-27-17)19-8-6-18(7-9-19)15-26(29)28-21-10-11-23-22-4-2-3-5-24(22)30-25(23)16-21/h2-14,16H,15H2,1H3,(H,28,29).
What are the key properties of N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 127029526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).